2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide

Name: 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide
SKU: ACM94157912
Rating: 5 (1 reviews)

CAS

94157-91-2

Catalog Number

ACM94157912

Category

Other Products

Molecular Weight

456.286706 [g/mol]

Molecular Formula

C₁₈H₁₂F₈N₂O₃

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Specification

Synonyms

EINECS 303-059-3, CID3023782, 2,6-Difluoro-N-(((2-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)amino)carbonyl)benzamide, 94157-91-2

IUPAC Name

2,6-difluoro-N-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]carbamoyl]benzamide

Canonical SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)NC(=O)C2=C(C=CC=C2F)F

InChI Key

CMPKBGQTUDSZQK-UHFFFAOYSA-N

Density

1.541g/cm³

EC Number

303-059-3

Exact Mass

456.07200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The molecular formula is C18H12F8N2O3.

When was 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide created?

It was created on 2005-08-08.

What is the molecular weight of 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The molecular weight is 456.3 g/mol.

What is the InChIKey of 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The InChIKey is CMPKBGQTUDSZQK-UHFFFAOYSA-N.

How many hydrogen bond donor counts are present in 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

There are 3 hydrogen bond donor counts.

What is the hydrogen bond acceptor count in 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The hydrogen bond acceptor count is 11.

What is the exact mass of 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The exact mass is 456.07201755 g/mol.

How many topological polar surface areas are present in 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The topological polar surface area is 78.4 Å².

What is the heavy atom count in 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

The heavy atom count is 31.

How many covalently-bonded unit counts are present in 2,6-Difluoro-N-[[[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]carbonyl]benzamide?

There is 1 covalently-bonded unit count.

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